3HNG
Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.040, 71.150, 196.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.990 - 2.700 |
| R-factor | 0.19739 |
| Rwork | 0.194 |
| R-free | 0.26018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qu5 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.990 | 2.810 |
| High resolution limit [Å] | 2.700 | 2.670 |
| Rmerge | 0.088 | 0.506 |
| Number of reflections | 11958 | |
| <I/σ(I)> | 13.2 | 3.2 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 4.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M potassium formate, 20% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
